7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

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  • Identifiers

    CAS number
    19407-28-4

    Molecular formula
    C20H30

    SMILES
    CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C

    Retention indicies (RI)

    • DB5: 2053.67

  • Odor profile

    Woody 80.05%
    Spicy 56.01%
    Dry 48.08%
    Amber 45.43%
    Herbal 41.44%
    Vetiver 34.16%
    Musk 34.09%
    Sweet 32.78%
    Cedar 31.25%
    Earthy 30.26%

    Scent© AI

  • Properties

    XLogP3-AA
    7.1

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point est.
    174.28 ˚C

  • Synonyms

    • 7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
    • 19407-28-4
    • Dehydroabietan
    • 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
    • Abieta-8,11,13-riene
    • QUUCYKKMFLJLFS-UHFFFAOYSA-N
    • Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-
    • Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,1,4a-trimethyl-

  • Applications

    7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (CAS 19407-28-4), a diterpenoid hydrocarbon of the abietane scaffold, is used mainly as a geochemical/GC–MS reference (biomarker) to trace conifer resins, ancient organic matter, and petroleum sources; as a model substrate to study oxidation, hydrogenation, and isomerization of the abietane framework; as an intermediate toward abietane derivatives; and for method development and spectral library calibration in laboratories, with little direct commercial use beyond R&D.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 225.48
    methanol 90.47
    isopropanol 199.14
    water 0.05
    ethyl acetate 881.09
    n-propanol 294.15
    acetone 652.77
    n-butanol 387.91
    acetonitrile 185.52
    DMF 739.1
    toluene 1477.05
    isobutanol 259.29
    1,4-dioxane 1707.6
    methyl acetate 476.55
    THF 2623.73
    2-butanone 700.09
    n-pentanol 187.73
    sec-butanol 185.63
    n-hexane 327.42
    ethylene glycol 7.81
    NMP 613.22
    cyclohexane 658.61
    DMSO 156.02
    n-butyl acetate 1227.82
    n-octanol 168.31
    chloroform 1043.41
    n-propyl acetate 435.06
    acetic acid 74.42
    dichloromethane 1075.55
    cyclohexanone 1471.03
    propylene glycol 16.76
    isopropyl acetate 781.77
    DMAc 579.67
    2-ethoxyethanol 190.61
    isopentanol 395.46
    n-heptane 274.68
    ethyl formate 202.65
    1,2-dichloroethane 1043.42
    n-hexanol 586.16
    2-methoxyethanol 320.64
    isobutyl acetate 445.9
    tetrachloromethane 264.17
    n-pentyl acetate 525.05
    transcutol 1214.11
    n-heptanol 225.62
    ethylbenzene 412.63
    MIBK 673.79
    2-propoxyethanol 707.29
    tert-butanol 275.68
    MTBE 1154.44
    2-butoxyethanol 322.05
    propionic acid 101.16
    o-xylene 564.33
    formic acid 10.44
    diethyl ether 1800.23
    m-xylene 828.57
    p-xylene 517.33
    chlorobenzene 782.82
    dimethyl carbonate 250.4
    n-octane 92.0
    formamide 23.93
    cyclopentanone 1185.91
    2-pentanone 914.73
    anisole 533.87
    cyclopentyl methyl ether 1662.79
    gamma-butyrolactone 782.7
    1-methoxy-2-propanol 313.38
    pyridine 1173.04
    3-pentanone 821.98
    furfural 481.33
    n-dodecane 42.98
    diethylene glycol 159.6
    diisopropyl ether 715.78
    tert-amyl alcohol 206.72
    acetylacetone 779.76
    n-hexadecane 54.0
    acetophenone 374.83
    methyl propionate 634.29
    isopentyl acetate 1178.5
    trichloroethylene 1236.71
    n-nonanol 181.13
    cyclohexanol 436.82
    benzyl alcohol 207.4
    2-ethylhexanol 453.89
    isooctanol 208.28
    dipropyl ether 1302.5
    1,2-dichlorobenzene 560.31
    ethyl lactate 97.66
    propylene carbonate 447.74
    n-methylformamide 151.98
    2-pentanol 278.57
    n-pentane 321.05
    1-propoxy-2-propanol 566.31
    1-methoxy-2-propyl acetate 997.89
    2-(2-methoxypropoxy) propanol 285.28
    mesitylene 531.46
    ε-caprolactone 977.45
    p-cymene 334.52
    epichlorohydrin 1156.3
    1,1,1-trichloroethane 831.9
    2-aminoethanol 32.84
    morpholine-4-carbaldehyde 784.46
    sulfolane 533.13
    2,2,4-trimethylpentane 127.12
    2-methyltetrahydrofuran 1683.34
    n-hexyl acetate 628.33
    isooctane 132.49
    2-(2-butoxyethoxy)ethanol 400.63
    sec-butyl acetate 414.54
    tert-butyl acetate 861.75
    decalin 198.22
    glycerin 25.6
    diglyme 926.71
    acrylic acid 61.68
    isopropyl myristate 287.55
    n-butyric acid 311.14
    acetyl acetate 432.99
    di(2-ethylhexyl) phthalate 179.13
    ethyl propionate 458.52
    nitromethane 171.91
    1,2-diethoxyethane 1173.45
    benzonitrile 358.97
    trioctyl phosphate 148.14
    1-bromopropane 1032.82
    gamma-valerolactone 1240.93
    n-decanol 133.84
    triethyl phosphate 251.19
    4-methyl-2-pentanol 242.06
    propionitrile 358.94
    vinylene carbonate 385.8
    1,1,2-trichlorotrifluoroethane 270.12
    DMS 474.41
    cumene 271.39
    2-octanol 140.31
    2-hexanone 465.51
    octyl acetate 304.41
    limonene 514.2
    1,2-dimethoxyethane 758.3
    ethyl orthosilicate 295.47
    tributyl phosphate 186.71
    diacetone alcohol 392.6
    N,N-dimethylaniline 372.06
    acrylonitrile 253.38
    aniline 549.5
    1,3-propanediol 109.15
    bromobenzene 998.13
    dibromomethane 850.33
    1,1,2,2-tetrachloroethane 907.19
    2-methyl-cyclohexyl acetate 501.52
    tetrabutyl urea 239.37
    diisobutyl methanol 265.16
    2-phenylethanol 407.62
    styrene 469.02
    dioctyl adipate 305.94
    dimethyl sulfate 224.73
    ethyl butyrate 702.47
    methyl lactate 97.0
    butyl lactate 232.37
    diethyl carbonate 360.04
    propanediol butyl ether 135.02
    triethyl orthoformate 544.14
    p-tert-butyltoluene 358.77
    methyl 4-tert-butylbenzoate 383.36
    morpholine 1527.04
    tert-butylamine 303.98
    n-dodecanol 107.13
    dimethoxymethane 1147.88
    ethylene carbonate 400.88
    cyrene 215.69
    2-ethoxyethyl acetate 697.98
    2-ethylhexyl acetate 1024.29
    1,2,4-trichlorobenzene 572.06
    4-methylpyridine 1352.35
    dibutyl ether 632.76
    2,6-dimethyl-4-heptanol 265.16
    DEF 939.57
    dimethyl isosorbide 662.33
    tetrachloroethylene 627.94
    eugenol 267.43
    triacetin 391.41
    span 80 228.53
    1,4-butanediol 29.38
    1,1-dichloroethane 808.62
    2-methyl-1-pentanol 223.87
    methyl formate 114.76
    2-methyl-1-butanol 331.03
    n-decane 92.76
    butyronitrile 475.22
    3,7-dimethyl-1-octanol 233.45
    1-chlorooctane 284.39
    1-chlorotetradecane 114.53
    n-nonane 95.53
    undecane 59.59
    tert-butylcyclohexane 176.15
    cyclooctane 289.9
    cyclopentanol 270.34
    tetrahydropyran 2585.28
    tert-amyl methyl ether 735.27
    2,5,8-trioxanonane 513.16
    1-hexene 614.37
    2-isopropoxyethanol 187.79
    2,2,2-trifluoroethanol 29.51
    methyl butyrate 467.85

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Cypress 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.3%
Juniperus martinezii Juniperus martinezii Perez de la Rosa, fam. Cupressaceae 0.3%
Juniperus flaccida var. flaccida Juniperus flaccida Schlecht, var. flaccida, fam. Cupressaceae 0.6%
Rosemary (Italy) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Hyptis suaveolens (India) 1 Hyptis suaveolens (L.) Poit., fam. Lamiaceae (Labiatae) 4.4%
Cedarleaf (U.S.A.) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.05%
Fokienia hodginsii Fokienia hodginsii (Dunn) Henry et Thomas, fam. Cupressaceae 0.36%
Juniperus rigida (Japan) 2 Juniperus rigida Mig., fam. Cupressaceae 0.4%
Juniperus rigida (China) Juniperus rigida Mig., fam. Cupressaceae 0.5%
Juniperus rigida (Korea) Juniperus rigida Mig., fam. Cupressaceae 0.5%
Teucrium divaricatum (Greece) Teucrium divaricatum Heldr. ssp. divaricatum, fam. Lamiaceae (Labiatae) 0.45%
Cypress, Leyland (Poland) Cupressocyparis leylandii (Dall. et Jacks.) Dall., fam. Cupressaceae 0.01%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Rosemary (Morocco) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Juniperus cedrus (Portugal-Madeira) Juniperus cedrus Webb & Berth. (J. oxycedrus L), fam. Cupressaceae 0.3%
Plectranthus barbatus (Brazil) 2c root Plectranthus barbatus Andr. (Coleus barbatus), fam. Lamiaceae (Labiatae) 0.7%
Hyptis suaveolens (Mali) Hyptis suaveolens (L.) Poit., fam. Lamiaceae (Labiatae) 3.1%
Thymus lotocephallus (Portugal) flower Thymus lotocephallus G. Lopez & R. Morales, fam. Lamiaceae (Labiatae) 0.05%
Nepeta argolica (Greece) 1b chemotype 2 Nepeta argolica Bory & Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.13%
Sage, ssp. altissima (Cuba) Salvia officinalis L. ssp. altissima, fam. Lamiaceae (Labiatae) 0.01%
Polylepis besseri (Bolivia) Polylepis besseri Hieron. ssp. besseri, fam. Rosaceae 6.1%
Teucrium salviastrum (Portugal) Teucrium salviastrum Schreber, fam. Lamiaceae (Lagiatae) 0.1%